SCHEMBL3812562

SCHEMBL3812562

[CH]c1ccccc1CN(C)CC#C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 16/20 0.69
LMNA P02545 2/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
USP2 O75604 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.58
BLM P54132 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3393227 0.77 PYCR1 (0.63) PYCR1LMNAMAOAMAOBUSP2
SCHEMBL6059688 0.77 CYP2D6 (0.71) PYCR1LMNAMAOAMAOBUSP2
SCHEMBL10643109 0.76 SLC6A4 (0.47) LMNACYP3A4TSHRALDH1A1SMN1; SMN2
Pargyline SCHEMBL2045 0.75 PYCR1 (1.00) PYCR1LMNAMAOAMAOBUSP2
Pargyline SCHEMBL18036659 0.75 PYCR1 (1.00) PYCR1LMNAMAOAMAOBUSP2
Pargyline SCHEMBL121111 0.73 LMNA (1.00) PYCR1LMNAMAOAMAOBUSP2
Pargyline SCHEMBL7363311 0.73 PYCR1 (0.96) PYCR1LMNAMAOAMAOBUSP2
SCHEMBL30056181 0.69 GPR84 (0.54) PYCR1LMNAMAOAMAOBUSP2
Pargyline SCHEMBL2657939 0.69 PYCR1 (0.86) PYCR1LMNAMAOAMAOBUSP2
SCHEMBL2901619 0.68 PYCR1 (0.51) PYCR1LMNAMAOAMAOBUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 WO disclosed